SCHEMBL4579810

SCHEMBL4579810

CN1CCN(c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3NC(=O)O)cn2)CC1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.79
HDAC2 Q92769 5/20 0.79
KCNH2 Q12809 13/20 0.64
HDAC1 Q13547 14/20 0.59
HDAC10 Q969S8 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
WNT1 P04628 1/20 0.56
GSK3B P49841 1/20 0.56
DYRK1A Q13627 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8232846 0.89 HDAC3 (0.73) HDAC3HDAC2KCNH2HDAC1HDAC10
SCHEMBL4579682 0.88 HDAC2 (1.00) HDAC3HDAC2KCNH2HDAC1
SCHEMBL28315510 0.86 HDAC2 (0.67) HDAC3HDAC2KCNH2HDAC1WNT1
SCHEMBL21835794 0.83 HDAC3 (0.56) HDAC3HDAC2KCNH2HDAC1
SCHEMBL3851920 0.82 HDAC1 (0.82) HDAC3HDAC2KCNH2HDAC1HDAC10
SCHEMBL17956160 0.82 HDAC1 (0.82) HDAC3HDAC2KCNH2HDAC1HDAC10
SCHEMBL20181689 0.81 HDAC2 (0.62) HDAC3HDAC2KCNH2HDAC1
SCHEMBL2211418 0.81 HDAC1 (0.52) HDAC3HDAC2KCNH2HDAC1HDAC10
SCHEMBL12535755 0.80 HDAC2 (0.60) HDAC3HDAC2KCNH2HDAC1
SCHEMBL13811468 0.79 KCNH2 (0.72) HDAC3HDAC2KCNH2HDAC1HDAC10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC3 3/4885HDAC2 5/4885KCNH2 4025/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.